322 research outputs found

    Decachloro­hexa-1,5-diene

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    The title compound, C6Cl10, cystallizes in a nearly C2-symmetrical gauche conformation. Both trichloro­vinyl groups are nearly planar [Cl—C—C—Cl torsion angles = −178.47 (12) and −179.93 (11)°] and the lengths of their C—Cl bonds increase from the terminal trans and cis C—Cl bonds to the inter­nal bonds. The Cl—C—Cl bond angles of the terminal dichloro­methyl­ene units are compressed to 111.75 (11) and 111.40 (11)°

    N-{4-[4-(4-Fluoro­phen­yl)-1-(2-methoxy­ethyl)-2-methyl­sulfanyl-1H-imidazol-5-yl]-2-pyrid­yl}-2-methyl-3-phenyl­propionamide

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    In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7), 73.33 (7) and 22.83 (8)° with the 4-fluoro­phenyl, pyridine and phenyl rings, respectively. The 4-fluoro­phenyl ring makes dihedral angles of 77.91 (7) and 26.93 (8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47 (9)°. The crystal packing shows an inter­molecular N—H⋯O hydrogen-bonding inter­action between the N—H and carbonyl groups of the amide functions

    5-Benzyl-5H-pyrido[3,2-b]indole

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    The title compound, C18H14N2, was prepared by twofold Pd-catalyzed aryl­amination of a cyclic pyrido–benzo–iodo­lium salt. In the crystal, two mol­ecules of 9-benzyl-δ-carboline form centrosymmetrical dimers with distances of 3.651 (2) Å between the centroids of the pyridine rings and 3.961 (2) Å between the centroids of the pyrrole and pyridine rings. The phenyl rings point to the other mol­ecule in the dimer and the carboline core is essentially planar [maximum deviation of 0.027 (2) Å]

    6-Amino-1-benzyl-4-(4-chloro­phen­yl)-3-(4-pyrid­yl)-1,4-dihydro­pyrano[2,3-c]pyrazole-5-carbonitrile

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    The crystal structure of the title compound, C25H18ClN5O, was determined in the course of our studies on the synthesis of 1,4-dihydro­pyrano[2,3-c]pyrazole as an inhibitor of the p38 mitogen-activated protein kinase (MAPK). The compound was prepared via a base-catalysed synthesis from 1-benzyl-3-(4-pyrid­yl)-1H-pyrazol-5(4H)-one with p-chloro­aldehyde and malononitrile. The crystal data obtained were used to generate a three-dimensional pharmacophore model for in silico database screening. The phenyl ring is disordered over two positions, with site occupancy factors of 0.55 and 0.45. The dihedral angles between the 1,4-dihydropyrano[2,3-c]pyrazole unit and the chloro­phenyl and pyridine rings are 83.7 (1) and 16.0 (1)°, respectively. The chloro­phenyl and pyridine rings make a dihedral angle of 86.8 (2)°

    N-{4-[3-(4-Fluoro­phen­yl)pyrido[2,3-b]pyrazin-2-yl]-2-pyrid­yl}isopropyl­amine

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    In the crystal structure of the title compound, C21H18FN5, the pyridopyrazine ring system forms dihedral angles of 33.27 (7) and 48.69 (9)° with the 4-fluoro­phenyl and pyridine ring, respectively. The dihedral angle of the 4-fluoro­phenyl and pyridine rings is 57.45 (8)°. The crystal packing is characterized by an inter­molecular N—H⋯N hydrogen bond

    2-(4-Fluoro­phen­yl)-3-(4-pyrid­yl)pyrido[2,3-b]pyrazine

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    In the crystal structure of the title compound, C18H11FN4, the pyridopyrazine system makes dihedral angles of 45.51 (7) and 44.75 (7)° with the attached 4-fluoro­phenyl ring and the pyridine ring, respectively. The 4-fluoro­phenyl ring makes a dihedral angle of 54.54 (8)° with the pyridine ring. The pyridine ring part of the pyridopyrazine ring and the pyrazine ring of two c-glide-plane-related mol­ecules form π–π inter­actions. The angle between the planes is 2.09 (7)° and the distance between the centroids is 3.557 (1)Å

    tert-Butyl N-benzyl-N-(4-methyl-2-pyrid­yl)carbamate

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    In the crystal structure of the title compound, C18H22N2O2, the pyridine ring makes dihedral angles of 83.71 (6) and 9.2 (1)° with the phenyl ring and the carbamate plane, respectively. The phenyl ring and the carbamate plane are nearly perpendicular to one another, with a dihedral angle of 87.17 (7)°

    5-Pentyl-1H-tetra­zole

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    The title compound C6H12N4, is one of a few known tetra­zoles with an alkyl chain in the 5-position. The asymmetric unit contains two independent mol­ecules. The mol­ecules are linked by N—H⋯N inter­actions into chains with graph-set notation D(2) and C 2 2(8) along [010]. The two independent mol­ecules form a layered structure, the layers being composed of inter­digitating strands of alternatingly oriented and nearly identical mol­ecules

    (Z)-Amino­(2-methyl-3-oxoisoindolin-1-yl­idene)acetonitrile

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    The asymmetric unit of the title compound, C11H9N3O, contains two independent and nearly identical mol­ecules (A and B). Mol­ecule A can be transformed to B using a rotation of approximately 85° around the [111] direction. Each A mol­ecule is connected to three B mol­ecules via N—H⋯N and N—H⋯O hydrogen bonds and vice versa. Centrosymmetric­ally related mol­ecules of the same residue form π–π inter­actions with centroid–centroid distances of 4.326 (1) and 3.826 (1) Å for the benzene rings of mol­ecules A and B, respectively
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